[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol

C11H10ClNOS — CID 22647489

IUPAC[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(-c2ccccc2Cl)sc1CO
InChIInChI=1S/C11H10ClNOS/c1-7-10(6-14)15-11(13-7)8-4-2-3-5-9(8)12/h2-5,14H,6H2,1H3
InChIKeyBIRRDCMVBYAEQJ-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.26
Rot. Bonds2

About [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol

[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 22647489) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID22647489
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(-c2ccccc2Cl)sc1CO
InChIInChI=1S/C11H10ClNOS/c1-7-10(6-14)15-11(13-7)8-4-2-3-5-9(8)12/h2-5,14H,6H2,1H3
InChIKeyBIRRDCMVBYAEQJ-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-amine
CID 96589922
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82085986
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide
CID 121123429
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121123145
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 121123057

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol (CID 22647489) is [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(-c2ccccc2Cl)sc1CO.
What is the InChIKey of [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is BIRRDCMVBYAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-7-10(6-14)15-11(13-7)8-4-2-3-5-9(8)12/h2-5,14H,6H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 239.73 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 22647489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).